Glycoside
GD031429
Name:
NoneFormula:
C30H30O12Smiles:
COc1cc([C@@H]2CC(=O)Oc3cc(O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C=Cc4ccc(O)cc4)c32)ccc1OAglycone:
COc1cc(C2CC(=O)Oc3cc(O)c(O)c(C=Cc4ccc(O)cc4)c32)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.56 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD20248
Formula: C24H20O7
Smiles:
COc1cc(C2CC(=O)Oc3cc(O)c(O)c(C=Cc4ccc(O)cc4)c32)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.42 | Num_heavy_atoms: | 31 |
| TPSA: | 116.45 | NumAromaticRings: | 3 |
